Iodopentafluorobenzene supplier

Name
Iodopentafluorobenzene
EINECS 212-565-2
CAS No. 827-15-6
Article Data83
CAS DataBase
Density 2.204 g/mL at 25 °C(lit.)
Solubility insoluble in water
Melting Point -29°C
Formula C₆F₅I
Boiling Point 166.7 °C at 760 mmHg
Molecular Weight 293.963
Flash Point 61.3 °C
Transport Information
Appearance colorless liquid.
Safety 26-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Benzene,pentafluoroiodo- (6CI,7CI,8CI,9CI);1,2,3,4,5-Pentafluoro-6-iodobenzene;2,3,4,5,6-Pentafluoroiodobenzene;Iodopentafluorobenzene;Iodoperfluorobenzene;NSC 88306;Perfluoroiodobenzene;Pentafluoroiodobenzene;Pentafluorophenyl iodide;
PSA 0.00000
LogP 2.98670

Iodopentafluorobenzene Specification

The Iodopentafluorobenzene, with the CAS registry number 827-15-6 and EINECS registry number 212-565-2, has the systematic name and IUPAC name of 1,2,3,4,5-pentafluoro-6-iodo-benzene. It is a kind of light sensitive chemical which belongs to the following product categories: Aryl; C6; Halogenated Hydrocarbons. And the molecular formula of the chemical is C₆F₅I.

The characteristics of Iodopentafluorobenzene are as followings: (1)ACD/LogP: 3.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.2; (4)ACD/LogD (pH 7.4): 3.2 ; (5)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Index of Refraction: 1.502; (9)Molar Refractivity: 39.12 cm³; (10)Molar Volume: 132.5 cm³; (11)Polarizability: 15.51×10^-24cm³; (12)Surface Tension: 33.3 dyne/cm; (13)Density: 2.217 g/cm³; (14)Flash Point: 61.3 °C; (15)Enthalpy of Vaporization: 38.66 kJ/mol; (16)Boiling Point: 166.7 °C at 760 mmHg; (17)Vapour Pressure: 2.33 mmHg at 25°C.

Uses of Iodopentafluorobenzene: It can react with dimethylamine to produce 4-iodo-N,N-dimethyl-2,3,5,6-tetrafluoroaniline. This reaction will need the menstruum methanol. The reaction time is 5 hours with temperature of 100°C, and the yield is about 75%.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1c(F)c(F)c(F)c(I)c1F
(2)InChI: InChI=1/C6F5I/c7-1-2(8)4(10)6(12)5(11)3(1)9
(3)InChIKey: OPYHNLNYCRZOGY-UHFFFAOYAM

Product Name

Iodopentafluorobenzene

Iodopentafluorobenzene Specification

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